| CAS Number | 915919-75-4 |
| Catalog Number | AG00GTP6(AGN-PC-0WB3H0) |
| Chemical Name | 1-(1-Isobutyrylpiperidin-4-yl)methanamine |
| IUPAC Name | 1-[4-(aminomethyl)piperidin-1-yl]-2-methylpropan-1-one |
| InChI | InChI=1S/C10H20N2O/c1-8(2)10(13)12-5-3-9(7-11)4-6-12/h8-9H,3-7,11H2,1-2H3 |
| InChI Key | PQGOVIYWZKKVET-UHFFFAOYSA-N |
| MDL Number | MFCD08059855 |
| Molecular Formula | C10H20N2O |
| Molecular Weight | 184.2786 |
| SMILES | N1(CCC(CC1)CN)C(C(C)C)=O |
| Synonyms | 915919-75-4,
1-(1-Isobutyrylpiperidin-4-yl)methanamine,
1-(1-Isobutyryl-4-piperidinyl)methanamine,
CHEMBRDG-BB 4011925,
1-(4-(Aminomethyl)piperidin-1-yl)-2-methylpropan-1-one,
1-[4-(aminomethyl)piperidin-1-yl]-2-methylpropan-1-one,
SCHEMBL12413676,
CTK5G9877,
DTXSID90654834,
MFCD08059855,
ZINC12381843,
AKOS011059719,
AJ-61982,
Y-3428,
1-(1-Isobutyrylpiperidin-4-yl)methanamine, AldrichCPR,
CHEMBRDG-BB4011925,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.283g/mol |
| Monoisotopic Mass | 184.158g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
8
|
|
Hazard statements
|
H314
|
|
Packing Group
|
Ⅱ
|
|
Precautionary statements
|
P280-P305+P351+P338-P310
|
|
UN Code
|
UN 2735
|
Certificate of Analysis
Lot Number